1-[4-[[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]diazenyl]phenyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]diazenyl]phenyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]-3-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-2-benzimidazol-1-iumyl]azo]phenyl]-3-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[5-(dimethylamino)-1,3-dimethylbenzimidazol-1-ium-2-yl]diazenyl]phenyl]-3-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]-3-hydroxy-proline Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)N(C)C)[N+](=C1N=NC3=CC=C(C=C3)N4CCC(C4C(=O)O)O)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)N(C)C)[N+](=C1N=NC3=CC=C(C=C3)N4CCC(C4C(=O)O)O)C

InChI

InChI=1S/C22H26N6O3/c1-25(2)16-9-10-17-18(13-16)27(4)22(26(17)3)24-23-14-5-7-15(8-6-14)28-12-11-19(29)20(28)21(30)31/h5-10,13,19-20,29H,11-12H2,1-4H3/p+1